N-[2-(3-chloranylphenoxy)ethyl]-4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide

Systemtic Name: N-[2-(3-chloranylphenoxy)ethyl]-4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide Openeye Name: N-[2-(3-chlorophenoxy)ethyl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide CAS Name: N-[2-(3-chlorophenoxy)ethyl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide IUPAC Name: N-[2-(3-chlorophenoxy)ethyl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide Traditional Name: N-[2-(3-chlorophenoxy)ethyl]-4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)butyramide Formula: C19H18ClN3O6 MolecularWeight: 419.81572

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)OCCNC(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O

Isomeric SMILES

C1=CC(=CC(=C1)Cl)OCCNC(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O

InChI

InChI=1S/C19H18ClN3O6/c20-13-3-1-4-15(11-13)28-10-8-21-18(24)5-2-9-22-16-7-6-14(23(26)27)12-17(16)29-19(22)25/h1,3-4,6-7,11-12H,2,5,8-10H2,(H,21,24)